4-[cyclopentyl(methyl)sulfamoyl]-N-(4,7-dichloro-1,3-benzothiazol-2-yl)benzamide

C20H19Cl2N3O3S2 — CID 43947389

IUPAC4-[cyclopentyl(methyl)sulfamoyl]-N-(4,7-dichloro-1,3-benzothiazol-2-yl)benzamide
SMILESCN(C1CCCC1)S(=O)(=O)c1ccc(C(=O)Nc2nc3c(Cl)ccc(Cl)c3s2)cc1
InChIInChI=1S/C20H19Cl2N3O3S2/c1-25(13-4-2-3-5-13)30(27,28)14-8-6-12(7-9-14)19(26)24-20-23-17-15(21)10-11-16(22)18(17)29-20/h6-11,13H,2-5H2,1H3,(H,23,24,26)
InChIKeyFROLTLZYIRKASN-UHFFFAOYSA-N
MW484.43 g/mol
LogP5.42
Rot. Bonds5

About 4-[cyclopentyl(methyl)sulfamoyl]-N-(4,7-dichloro-1,3-benzothiazol-2-yl)benzamide

4-[cyclopentyl(methyl)sulfamoyl]-N-(4,7-dichloro-1,3-benzothiazol-2-yl)benzamide (PubChem CID 43947389) has the molecular formula C20H19Cl2N3O3S2 and a molecular weight of 484.43 g/mol. Its IUPAC name is 4-[cyclopentyl(methyl)sulfamoyl]-N-(4,7-dichloro-1,3-benzothiazol-2-yl)benzamide.

Molecular Properties

Compound Name4-[cyclopentyl(methyl)sulfamoyl]-N-(4,7-dichloro-1,3-benzothiazol-2-yl)benzamide
PubChem CID43947389
Molecular FormulaC20H19Cl2N3O3S2
Molecular Weight484.43 g/mol
Exact Mass483.02
IUPAC Name4-[cyclopentyl(methyl)sulfamoyl]-N-(4,7-dichloro-1,3-benzothiazol-2-yl)benzamide
SMILESCN(C1CCCC1)S(=O)(=O)c1ccc(C(=O)Nc2nc3c(Cl)ccc(Cl)c3s2)cc1
InChIInChI=1S/C20H19Cl2N3O3S2/c1-25(13-4-2-3-5-13)30(27,28)14-8-6-12(7-9-14)19(26)24-20-23-17-15(21)10-11-16(22)18(17)29-20/h6-11,13H,2-5H2,1H3,(H,23,24,26)
InChIKeyFROLTLZYIRKASN-UHFFFAOYSA-N
XLogP5.42
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.43
LogP ≤ 55.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-[cyclopentyl(methyl)sulfamoyl]-N-(4,7-dichloro-1,3-benzothiazol-2-yl)benzamide with MolForge

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Related Compounds

N-(4-chloro-1,3-benzothiazol-2-yl)-4-[cyclopentyl(methyl)sulfamoyl]benzamide
CID 16831189
N-(4,7-dichloro-1,3-benzothiazol-2-yl)-4-[methyl(propan-2-yl)sulfamoyl]benzamide
CID 44993217
N-(4,7-dichloro-1,3-benzothiazol-2-yl)-4-(diethylsulfamoyl)benzamide
CID 4671583
4-[cyclopentyl(methyl)sulfamoyl]-N-(4-methyl-1,3-benzothiazol-2-yl)benzamide
CID 43947275
N-(4,7-dichloro-1,3-benzothiazol-2-yl)-4-ethylsulfonylbenzamide
CID 16822993
4-[cyclopentyl(methyl)sulfamoyl]-N-(7-methyl-[1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)benzamide
CID 43947317
N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-4-[cyclopentyl(methyl)sulfamoyl]benzamide
CID 43947289
4-[cyclopentyl(methyl)sulfamoyl]-N-(1,3-thiazol-2-yl)benzamide
CID 7656045
4-[cyclopentyl(methyl)sulfamoyl]-N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzamide
CID 43947274
4-[cyclopentyl(methyl)sulfamoyl]-N-(4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)benzamide
CID 16831192
4-[cyclopentyl(methyl)sulfamoyl]-N-(6-nitro-1,3-benzothiazol-2-yl)benzamide
CID 18584056
4-chloro-3-[[4-[cyclohexyl(methyl)sulfamoyl]benzoyl]amino]-N,N-dimethylbenzamide
CID 43071932

Frequently Asked Questions

What is the IUPAC name of 4-[cyclopentyl(methyl)sulfamoyl]-N-(4,7-dichloro-1,3-benzothiazol-2-yl)benzamide?
The IUPAC name of 4-[cyclopentyl(methyl)sulfamoyl]-N-(4,7-dichloro-1,3-benzothiazol-2-yl)benzamide (CID 43947389) is 4-[cyclopentyl(methyl)sulfamoyl]-N-(4,7-dichloro-1,3-benzothiazol-2-yl)benzamide.
What is the SMILES notation for 4-[cyclopentyl(methyl)sulfamoyl]-N-(4,7-dichloro-1,3-benzothiazol-2-yl)benzamide?
The canonical SMILES for 4-[cyclopentyl(methyl)sulfamoyl]-N-(4,7-dichloro-1,3-benzothiazol-2-yl)benzamide is CN(C1CCCC1)S(=O)(=O)c1ccc(C(=O)Nc2nc3c(Cl)ccc(Cl)c3s2)cc1.
What is the InChIKey of 4-[cyclopentyl(methyl)sulfamoyl]-N-(4,7-dichloro-1,3-benzothiazol-2-yl)benzamide?
The InChIKey is FROLTLZYIRKASN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19Cl2N3O3S2/c1-25(13-4-2-3-5-13)30(27,28)14-8-6-12(7-9-14)19(26)24-20-23-17-15(21)10-11-16(22)18(17)29-20/h6-11,13H,2-5H2,1H3,(H,23,24,26).
What are the key properties of 4-[cyclopentyl(methyl)sulfamoyl]-N-(4,7-dichloro-1,3-benzothiazol-2-yl)benzamide?
4-[cyclopentyl(methyl)sulfamoyl]-N-(4,7-dichloro-1,3-benzothiazol-2-yl)benzamide has a molecular weight of 484.43 g/mol, XLogP of 5.42, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[cyclopentyl(methyl)sulfamoyl]-N-(4,7-dichloro-1,3-benzothiazol-2-yl)benzamide is sourced from PubChem (CID 43947389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).